Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8032065 | 0.99 | MTNR1A (0.46) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8032086 | 0.93 | NPC1 (0.47) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8035938 | 0.89 | SRD5A1 (0.47) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8032570 | 0.87 | KDM4E (0.45) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8034163 | 0.85 | CTSV (0.47) | NPC1EGFRCTSVCTSLAPP | |
| SCHEMBL8039231 | 0.84 | CTSV (0.43) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8025539 | 0.83 | MTNR1A (0.48) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8038345 | 0.82 | HPGD (0.52) | NPC1EGFRCTSVCTSLAPP | |
| SCHEMBL8037001 | 0.82 | ALDH1A1 (0.46) | MTNR1AMTNR1BNPC1EGFRCTSV | |
| SCHEMBL8034161 | 0.81 | APP (0.47) | NPC1EGFRCTSVCTSLAPP |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |